2-(4-cyano-2-nitro-phenyl)sulfanylethanoic acid

Systemtic Name: 2-(4-cyano-2-nitro-phenyl)sulfanylethanoic acid Openeye Name: 2-(4-cyano-2-nitro-phenyl)sulfanylacetic acid CAS Name: 2-[(4-cyano-2-nitrophenyl)thio]acetic acid IUPAC Name: 2-(4-cyano-2-nitrophenyl)sulfanylacetic acid Traditional Name: 2-[(4-cyano-2-nitro-phenyl)thio]acetic acid Formula: C9H6N2O4S MolecularWeight: 238.21994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)[N+](=O)[O-])SCC(=O)O

InChI

InChI=1S/C9H6N2O4S/c10-4-6-1-2-8(16-5-9(12)13)7(3-6)11(14)15/h1-3H,5H2,(H,12,13)